2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine

C14H17N2OP — CID 146013513

IUPAC2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine
SMILESCP(C)(=O)c1c(N)ccc2nc(C3CC3)ccc12
InChIInChI=1S/C14H17N2OP/c1-18(2,17)14-10-5-7-12(9-3-4-9)16-13(10)8-6-11(14)15/h5-9H,3-4,15H2,1-2H3
InChIKeyPBZCXEWESBXQFO-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.94
Rot. Bonds2

About 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine

2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine (PubChem CID 146013513) has the molecular formula C14H17N2OP and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine
PubChem CID146013513
Molecular FormulaC14H17N2OP
Molecular Weight260.28 g/mol
Exact Mass260.11
IUPAC Name2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine
SMILESCP(C)(=O)c1c(N)ccc2nc(C3CC3)ccc12
InChIInChI=1S/C14H17N2OP/c1-18(2,17)14-10-5-7-12(9-3-4-9)16-13(10)8-6-11(14)15/h5-9H,3-4,15H2,1-2H3
InChIKeyPBZCXEWESBXQFO-UHFFFAOYSA-N
XLogP2.94
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-cyclopropylpyridin-3-amine
CID 82597834
2-cyclopropyl-6-methoxyquinolin-4-amine
CID 63357972
methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate
CID 36995603
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097
N-(5-bromo-2-chloropyrimidin-4-yl)-7-cyclopropyl-4-dimethylphosphoryl-1,8-naphthyridin-3-amine
CID 167231486
3-amino-6-piperidin-4-ylpyridine-2-carboxylic acid
CID 115032604
4-(5-amino-6-methyl-2-pyridinyl)piperidine-1-carbaldehyde
CID 89100455
6-chloro-2-(oxan-4-yl)quinoline-5-carboxylic acid
CID 118556049
2-piperidin-4-yl-8-(trifluoromethyl)quinolin-5-amine;hydrochloride
CID 175300900
6-bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
6-chloro-2-(3-hydroxycyclopentyl)quinoline-5-carboxylic acid
CID 118556050
2-methoxy-6-(thian-4-yl)pyridin-3-amine
CID 115034695

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine?
The IUPAC name of 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine (CID 146013513) is 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine.
What is the SMILES notation for 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine?
The canonical SMILES for 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine is CP(C)(=O)c1c(N)ccc2nc(C3CC3)ccc12.
What is the InChIKey of 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine?
The InChIKey is PBZCXEWESBXQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2OP/c1-18(2,17)14-10-5-7-12(9-3-4-9)16-13(10)8-6-11(14)15/h5-9H,3-4,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine?
2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine has a molecular weight of 260.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-dimethylphosphorylquinolin-6-amine is sourced from PubChem (CID 146013513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).